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题名: Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations
作者: Kong, Xiang-Yu1;  Xu, Hong-Guang1;  Koirala, Pratik2;  Zheng, Wei-Jun1;  Kandalam, Anil K.3;  Jena, Puru4
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2014
DOI: 10.1039/c4cp04299a
卷: 16, 期:47, 页:26067-26074
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The electronic and structural properties of neutral and anionic Ag-n(BO2)(m) (n = 1-3, m = 1-2) clusters are investigated by using mass-selected anion photoelectron spectroscopy and density functional theory calculations. Agreement between the measured and calculated vertical detachment energies (VDEs) allows us to validate the equilibrium geometries of [Ag-n(BO2)(m)](-) clusters obtained from theory. The ground state structures of anionic Ag-2(BO2) and Ag-n(BO2)(2) (n = 1-3) clusters are found to be very different from those of their neutral counterparts. The structures of anionic clusters are chain-like while those of the neutral clusters are closed-rings. The presence of multiple isomers for [Ag-2(BO2)(2)](-) and [Ag-3(BO2)(2)](-) in the cluster beam has also been confirmed. Several of these clusters are found to be hyperhalogens.
关键词[WOS]: AB-INITIO ;  IONIZATION-POTENTIALS ;  SUPERHALOGEN ANIONS ;  ELECTRON-AFFINITIES ;  BR ;  STABILITY ;  1ST ;  CL ;  THERMOCHEMISTRY ;  MH(K+1)(-)
语种: 英语
WOS记录号: WOS:000345208200045
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145535
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
2.Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA
3.W Chester Univ, Dept Phys, W Chester, PA 19383 USA
4.Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA

Recommended Citation:
Kong, Xiang-Yu,Xu, Hong-Guang,Koirala, Pratik,et al. Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2014,16(47):26067-26074.
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